Geometry & MOs

Info

ID:	431232
PubChem CID:	135171302
Reduced:	BrN2O2C7H7 (1)
Stoich.:	AB2C2D7E7 (1)
Weight, g/mol:	413.107533
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	3.28
IP(EA), eV:	-10.47(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-1-phosphanylthieno[3,4-b]pyridine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1Br)C(=O)OC

DOS

IR

Vibrations